CID 16780490

4-(dimethylsulfamoyl)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H12N2O4S
SMILES
CN1C=C(C=C1C(=O)O)S(=O)(=O)N(C)C
InChI
InChI=1S/C8H12N2O4S/c1-9(2)15(13,14)6-4-7(8(11)12)10(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey
XFQAPMOKQJFOMK-UHFFFAOYSA-N
Compound name
4-(dimethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05177 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05905 147.7
[M+Na]+ 255.04099 156.5
[M-H]- 231.04449 151.1
[M+NH4]+ 250.08559 166.4
[M+K]+ 271.01493 155.6
[M+H-H2O]+ 215.04903 142.1
[M+HCOO]- 277.04997 165.4
[M+CH3COO]- 291.06562 189.8
[M+Na-2H]- 253.02644 148.9
[M]+ 232.05122 152.5
[M]- 232.05232 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.